| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:21:40 UTC |
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| Update Date | 2025-03-21 18:37:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00114408 |
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| Frequency | 23.1 |
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| Structure | |
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| Chemical Formula | C13H19ClN2O |
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| Molecular Mass | 254.1186 |
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| SMILES | CCN(CC)CC(=O)Nc1ccc(Cl)cc1C |
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| InChI Key | XLUPGEXVAXOORE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acid amides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amidestoluenestrialkylamines |
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| Substituents | monocyclic benzene moietycarbonyl grouporganochloriden-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundtertiary aminearyl chloridechlorobenzenealpha-amino acid amidetertiary aliphatic aminecarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenetolueneamineorganooxygen compound |
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